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23639-46-5 | 3,5-Ethano-2H-1-benzopyran (8CI,9CI)
CAS No: 23639-46-5 Catalog No: AG002NZ0 MDL No:
Product Description
Catalog Number:
AG002NZ0
Chemical Name:
3,5-Ethano-2H-1-benzopyran (8CI,9CI)
CAS Number:
23639-46-5
Molecular Formula:
C11H10O
Molecular Weight:
158.1965
IUPAC Name:
3-oxatricyclo[6.2.2.04,9]dodeca-1(10),4,6,8-tetraene
InChI:
InChI=1S/C11H10O/c1-2-9-5-4-8-6-10(9)11(3-1)12-7-8/h1-3,6H,4-5,7H2
InChI Key:
BZFSGPVQJFPSJP-UHFFFAOYSA-N
SMILES:
c1cc2CCC3=Cc2c(c1)OC3
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.073g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.2g/mol
Monoisotopic Mass:
158.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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